N-(2,4-dichlorophenyl)-3-(hydrazinecarbonyl)propanamide

• ChemBase ID: 21633
• Molecular Formular: C10H11Cl2N3O2
• Molecular Mass: 276.11924
• Monoisotopic Mass: 275.02283197
• SMILES: N(c1c(cc(cc1)Cl)Cl)C(=O)CCC(=O)NN
• Canonical SMILES: NNC(=O)CCC(=O)Nc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C10H11Cl2N3O2/c11-6-1-2-8(7(12)5-6)14-9(16)3-4-10(17)15-13/h1-2,5H,3-4,13H2,(H,14,16)(H,15,17)
• InChIKey: CXDVNAMCLHCSSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,4-dichlorophenyl)-3-(hydrazinecarbonyl)propanamide
• IUPAC Traditional name: N-(2,4-dichlorophenyl)-3-(hydrazinecarbonyl)propanamide
• Synonyms: N-(2,4-Dichlorophenyl)-4-hydrazino-4-oxobutanamide

Database IDs

• MDL Number: MFCD02188787
• PubChem SID: 160984940
• PubChem CID: 362231

CALCULATED PROPERTIES

• Acid pKa: 11.2108
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.1392089
• LogD (pH = 7.4): 1.1404132
• Log P: 1.1404899
• Molar Refractivity: 67.7302 cm^3
• Polarizability: 25.406488 Å^3
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false